SCHEMBL22984859

SCHEMBL22984859

CC(S)S(=O)(=O)Nc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ KDM4E B2RXH2 9/20 0.51
▸ POLB P06746 1/20 0.49
▸ ALDH1A1 P00352 7/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ LMNA P02545 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10175727 0.86 TSHR (0.59) TSHRATMKDM4EPOLBALDH1A1
SCHEMBL22355191 0.76 ACHE (0.46) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL23308872 0.76 TSHR (0.59) TSHRATMKDM4EPOLBALDH1A1
SCHEMBL1631053 0.76 TSHR (0.65) TSHRATMKDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL20502504 0.74 TSHR (0.62) TSHRATMKDM4EPOLBALDH1A1
SCHEMBL26894424 0.73 TSHR (0.49) TSHRATMKDM4EPOLBALDH1A1
SCHEMBL30746463 0.73 TSHR (0.61) TSHRATMKDM4EPOLBALDH1A1
SCHEMBL6320584 0.73 KDM4E (0.61) TSHRATMKDM4EPOLBALDH1A1
SCHEMBL21536752 0.72 KDM4E (0.55) TSHRATMKDM4EPOLBALDH1A1
SCHEMBL5632154 0.72 TSHR (0.59) TSHRATMKDM4EPOLBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919884-B2 Amide compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-02-16 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10919884-B2 Amide compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH TSHR 2598/4885ATM 1689/4885KDM4E 2775/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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